#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oi4 n TYR 3 N 0.00 2.18 -3.98 0.66 9.36 -1.26 -4.84 117.16 119.28 1oi4 n TYR 3 Ca 0.00 0.45 -0.33 0.00 3.32 0.00 0.00 57.90 61.34 1oi4 n TYR 3 Cb 0.00 -2.45 -0.14 0.00 -0.63 0.00 0.00 39.34 36.11 1oi4 n TYR 3 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1oi4 s TYR 4 N -0.19 3.47 -0.08 2.98 6.04 0.13 -5.04 117.35 124.66 1oi4 s TYR 4 Ca 0.66 -2.46 -0.30 0.00 0.04 0.00 0.00 57.07 55.02 1oi4 s TYR 4 Cb -0.64 -2.46 -0.05 0.00 -1.04 0.00 0.00 41.96 37.78 1oi4 s TYR 4 CO 0.51 -0.90 1.60 -1.58 -1.54 0.00 0.00 175.55 173.64 1oi4 s HIS 5 N 1.07 2.10 -1.00 4.97 5.65 -1.26 -4.04 115.29 122.79 1oi4 s HIS 5 Ca 0.00 0.33 -0.20 0.00 0.25 0.00 0.00 55.06 55.45 1oi4 s HIS 5 Cb -0.20 -3.86 0.03 0.00 -1.18 0.00 0.00 32.58 27.36 1oi4 s HIS 5 CO -0.05 -3.50 0.61 0.72 -0.65 0.00 0.00 174.74 171.88 1oi4 n HIS 6 N 7.18 -1.55 -1.77 3.88 8.25 -1.26 -4.85 115.22 125.09 1oi4 n HIS 6 Ca 0.17 0.35 -0.41 0.00 -0.26 0.00 0.00 57.72 57.57 1oi4 n HIS 6 Cb 0.43 -2.60 -0.00 0.00 1.12 0.00 0.00 29.99 28.94 1oi4 n HIS 6 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1oi4 n HIS 7 N -3.91 2.99 -4.82 4.41 -0.00 -1.26 -5.01 115.22 107.63 1oi4 n HIS 7 Ca -0.19 0.43 -0.27 0.00 0.46 0.00 0.00 57.72 58.15 1oi4 n HIS 7 Cb 0.59 -2.54 -0.15 0.00 -0.12 0.00 0.00 29.99 27.77 1oi4 n HIS 7 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1oi4 s HIS 8 N -1.03 1.99 -0.12 1.57 -3.43 -1.26 -4.81 115.29 108.21 1oi4 s HIS 8 Ca 0.54 -0.38 0.17 0.00 -0.80 0.00 0.00 55.06 54.58 1oi4 s HIS 8 Cb -0.48 -1.21 0.26 0.00 -1.43 0.00 0.00 32.58 29.72 1oi4 s HIS 8 CO 0.63 0.07 1.13 -2.39 -2.00 0.00 0.00 174.74 172.18 1oi4 n HIS 9 N 1.98 0.00 -4.34 0.38 1.44 -1.26 -4.92 115.22 108.50 1oi4 n HIS 9 Ca -0.17 -0.92 -0.25 0.00 -2.01 0.00 0.00 57.72 54.38 1oi4 n HIS 9 Cb 0.53 -0.14 -0.09 0.00 0.12 0.00 0.00 29.99 30.41 1oi4 n HIS 9 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1oi4 s HIS 10 N -2.62 2.55 0.24 -1.40 3.76 -1.26 -3.09 115.29 113.47 1oi4 s HIS 10 Ca 0.28 -0.26 -0.31 0.00 -0.15 0.00 0.00 55.06 54.63 1oi4 s HIS 10 Cb 0.25 -1.18 -0.14 0.00 1.11 0.00 0.00 32.58 32.63 1oi4 s HIS 10 CO 0.03 0.59 1.33 1.28 -0.85 0.00 0.00 174.74 177.12 1oi4 n LEU 11 N -0.41 2.81 -4.75 0.89 4.77 -1.26 -4.92 117.00 114.14 1oi4 n LEU 11 Ca -0.08 1.15 -0.35 0.00 -0.03 0.00 0.00 56.01 56.70 1oi4 n LEU 11 Cb 0.58 -1.39 0.05 0.00 -2.33 0.00 0.00 43.42 40.33 1oi4 n LEU 11 CO 0.37 -0.68 0.79 -0.70 -1.33 0.00 0.00 177.39 175.85 1oi4 s GLU 12 N -0.62 2.72 0.00 3.23 2.12 -1.26 -4.86 118.70 120.02 1oi4 s GLU 12 Ca 0.67 1.67 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1oi4 s GLU 12 Cb -0.68 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1oi4 s GLU 12 CO 0.52 -1.37 0.89 -1.13 -0.54 0.00 0.00 175.26 173.63 1oi4 n SER 13 N -2.12 0.00 -0.62 -1.70 3.41 -1.26 -0.42 113.62 110.91 1oi4 n SER 13 Ca 0.12 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 1oi4 n SER 13 Cb 0.51 -0.39 0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1oi4 n SER 13 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1oi4 n THR 14 N -1.39 0.00 -2.12 6.66 -2.24 -1.26 -4.97 114.28 108.96 1oi4 n THR 14 Ca 0.00 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 1oi4 n THR 14 Cb 0.01 1.32 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 1oi4 n THR 14 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1oi4 s SER 15 N -2.21 6.78 0.36 3.42 0.15 0.44 -4.92 113.70 117.72 1oi4 s SER 15 Ca 0.20 2.62 0.19 0.00 0.70 0.00 0.00 55.95 59.66 1oi4 s SER 15 Cb 0.18 -2.64 0.50 0.00 -1.71 0.00 0.00 66.02 62.36 1oi4 s SER 15 CO 0.46 -0.56 1.65 -0.07 1.20 0.00 0.00 173.24 175.91 1oi4 h LEU 16 N 4.14 0.00 -0.09 3.45 3.38 -1.93 -3.06 115.31 121.20 1oi4 h LEU 16 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1oi4 h LEU 16 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1oi4 h LEU 16 CO 0.70 0.38 -0.16 -1.22 0.09 0.00 0.00 178.44 178.24 1oi4 n TYR 17 N -3.38 0.00 0.16 1.13 4.02 -1.26 -4.26 117.16 113.57 1oi4 n TYR 17 Ca 0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 1oi4 n TYR 17 Cb 0.58 -0.31 -0.08 0.00 -0.02 0.00 0.00 39.34 39.51 1oi4 n TYR 17 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1oi4 h LYS 18 N 0.22 -0.37 -0.29 -0.72 3.64 -1.86 -3.09 116.57 114.09 1oi4 h LYS 18 Ca 0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1oi4 h LYS 18 Cb 0.43 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1oi4 h LYS 18 CO 0.00 -0.11 0.08 -0.22 -2.27 0.00 0.00 179.45 176.93 1oi4 h LYS 19 N -0.59 0.20 0.00 1.90 3.64 -1.79 -2.47 116.57 117.46 1oi4 h LYS 19 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1oi4 h LYS 19 Cb 0.43 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1oi4 h LYS 19 CO 0.06 0.13 0.00 0.00 -2.27 0.00 0.00 179.45 177.38 1oi4 h ALA 20 N 1.20 1.00 -6.03 5.00 0.00 -1.81 -3.47 119.26 115.14 1oi4 h ALA 20 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.61 1oi4 h ALA 20 Cb 0.12 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.96 1oi4 h ALA 20 CO -0.15 0.00 -0.71 0.41 0.00 0.00 0.00 179.25 178.79 1oi4 n GLY 21 N -0.11 -0.52 0.93 0.00 0.00 -0.93 -4.91 105.19 99.63 1oi4 n GLY 21 Ca 0.00 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1oi4 n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oi4 n LEU 22 N -4.83 2.98 -4.66 0.99 4.77 -1.26 -5.03 117.00 109.97 1oi4 n LEU 22 Ca 0.02 -1.23 -0.37 0.00 -0.03 0.00 0.00 56.01 54.40 1oi4 n LEU 22 Cb 0.54 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1oi4 n LEU 22 CO 0.70 0.58 0.69 -1.20 -1.33 0.00 0.00 177.39 176.83 1oi4 n SER 23 N 1.24 1.25 -4.76 -1.43 7.64 -1.26 -4.97 113.62 111.33 1oi4 n SER 23 Ca 0.14 0.78 -0.34 0.00 1.01 0.00 0.00 58.87 60.47 1oi4 n SER 23 Cb 0.54 -1.46 0.05 0.00 -1.01 0.00 0.00 64.21 62.33 1oi4 n SER 23 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1oi4 s LYS 24 N -3.15 2.69 -0.16 1.43 1.02 -1.26 -4.77 119.74 115.55 1oi4 s LYS 24 Ca 0.79 1.52 0.02 0.00 0.02 0.00 0.00 55.97 58.31 1oi4 s LYS 24 Cb -0.39 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 1oi4 s LYS 24 CO 0.44 -1.36 -0.20 0.15 -0.92 0.00 0.00 175.35 173.46 1oi4 s LYS 25 N -3.94 2.90 -0.32 1.68 1.02 -1.26 -1.02 119.74 118.80 1oi4 s LYS 25 Ca 0.70 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.78 1oi4 s LYS 25 Cb -0.23 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1oi4 s LYS 25 CO 0.41 -0.12 0.17 0.42 -0.92 0.00 0.00 175.35 175.31 1oi4 s ILE 26 N 1.08 4.69 0.38 2.17 1.09 -0.58 -0.42 121.20 129.61 1oi4 s ILE 26 Ca -0.01 -0.43 -0.23 0.00 -1.10 0.00 0.00 60.65 58.87 1oi4 s ILE 26 Cb -0.14 -3.41 -0.10 0.00 -1.06 0.00 0.00 42.46 37.74 1oi4 s ILE 26 CO -0.07 0.03 0.96 0.00 -0.10 0.00 0.00 174.94 175.76 1oi4 s ALA 27 N 1.62 3.11 -0.10 9.38 0.00 0.38 -1.20 121.76 134.96 1oi4 s ALA 27 Ca 0.05 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 1oi4 s ALA 27 Cb -0.17 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1oi4 s ALA 27 CO 0.07 0.10 0.01 0.08 0.00 0.00 0.00 175.76 176.02 1oi4 s VAL 28 N -1.88 0.40 -0.39 0.00 1.01 -0.00 0.19 120.40 119.72 1oi4 s VAL 28 Ca 0.57 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 1oi4 s VAL 28 Cb -0.15 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1oi4 s VAL 28 CO 0.19 0.17 0.69 -0.76 0.00 0.00 0.00 175.10 175.39 1oi4 s LEU 29 N 1.95 4.29 -0.12 3.92 1.43 -1.15 0.36 118.68 129.35 1oi4 s LEU 29 Ca 0.04 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1oi4 s LEU 29 Cb -0.13 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.27 1oi4 s LEU 29 CO -0.06 -0.73 0.32 -0.51 0.23 0.00 0.00 176.35 175.61 1oi4 s ILE 30 N 2.92 -0.01 0.06 -0.59 -1.16 -0.74 -4.47 121.20 117.22 1oi4 s ILE 30 Ca 0.26 0.02 0.01 0.00 -0.51 0.00 0.00 60.65 60.44 1oi4 s ILE 30 Cb -0.14 -0.45 -0.01 0.00 0.61 0.00 0.00 42.46 42.47 1oi4 s ILE 30 CO 0.18 0.01 0.05 1.07 -2.81 0.00 0.00 174.94 173.44 1oi4 n THR 31 N 3.12 0.00 -1.65 4.00 5.66 -1.26 -4.44 114.28 119.71 1oi4 n THR 31 Ca -0.15 -0.44 -0.40 0.00 -3.05 0.00 0.00 64.05 60.01 1oi4 n THR 31 Cb 0.57 0.22 0.02 0.00 -1.55 0.00 0.00 70.33 69.59 1oi4 n THR 31 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1oi4 n ASP 32 N -2.76 1.69 -0.65 1.09 8.00 -1.26 -3.32 116.55 119.34 1oi4 n ASP 32 Ca 0.01 1.00 -0.07 0.00 0.71 0.00 0.00 54.79 56.45 1oi4 n ASP 32 Cb 0.11 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 39.76 1oi4 n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oi4 n GLU 33 N -0.24 -0.52 -1.77 -1.24 1.02 -0.14 -3.95 120.64 113.80 1oi4 n GLU 33 Ca 0.09 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.49 1oi4 n GLU 33 Cb 0.42 -4.42 0.04 0.00 -0.02 0.00 0.00 31.44 27.46 1oi4 n GLU 33 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1oi4 s PHE 34 N -2.30 2.86 -0.41 -0.32 -0.12 -1.21 -0.36 117.98 116.12 1oi4 s PHE 34 Ca 0.00 1.51 -0.28 0.00 -0.05 0.00 0.00 56.93 58.11 1oi4 s PHE 34 Cb 0.00 -3.03 0.00 0.00 -0.63 0.00 0.00 43.02 39.36 1oi4 s PHE 34 CO 0.00 -1.38 1.55 -2.00 -0.05 0.00 0.00 175.22 173.34 1oi4 s GLU 35 N -4.38 3.43 0.04 1.99 2.56 -0.98 -0.38 118.70 120.98 1oi4 s GLU 35 Ca 0.63 1.03 -0.09 0.00 0.00 0.00 0.00 54.97 56.54 1oi4 s GLU 35 Cb -0.17 -4.10 -0.02 0.00 2.00 0.00 0.00 34.13 31.84 1oi4 s GLU 35 CO 0.44 -1.74 0.73 -0.25 -0.56 0.00 0.00 175.26 173.88 1oi4 n ASP 36 N 9.51 -0.30 0.25 -1.70 8.00 -1.26 -0.33 116.55 130.73 1oi4 n ASP 36 Ca 0.18 0.80 0.17 0.00 0.71 0.00 0.00 54.79 56.65 1oi4 n ASP 36 Cb 0.48 -0.21 0.74 0.00 -0.02 0.00 0.00 41.12 42.10 1oi4 n ASP 36 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1oi4 h SER 37 N 0.00 0.00 0.41 -2.24 4.64 -1.98 -2.20 113.55 112.18 1oi4 h SER 37 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1oi4 h SER 37 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1oi4 h SER 37 CO -0.26 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.08 1oi4 n GLU 38 N -2.87 0.11 -0.04 4.77 1.02 0.55 -1.62 120.64 122.56 1oi4 n GLU 38 Ca 0.00 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1oi4 n GLU 38 Cb 0.23 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1oi4 n GLU 38 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1oi4 n PHE 39 N -1.40 0.00 -0.32 -0.32 7.35 -0.87 -4.56 117.46 117.35 1oi4 n PHE 39 Ca 0.05 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1oi4 n PHE 39 Cb 0.15 -0.32 0.17 0.00 0.35 0.00 0.00 39.48 39.83 1oi4 n PHE 39 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1oi4 h THR 40 N -0.37 1.20 0.16 -2.13 1.35 -1.46 -0.41 112.91 111.25 1oi4 h THR 40 Ca -0.19 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.25 1oi4 h THR 40 Cb 1.00 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1oi4 h THR 40 CO -0.12 0.22 -0.07 -1.28 -0.25 0.00 0.00 175.52 174.02 1oi4 h SER 41 N 1.21 -0.18 -0.45 5.36 0.87 -1.57 -0.89 113.55 117.90 1oi4 h SER 41 Ca 0.35 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1oi4 h SER 41 Cb -0.08 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 1oi4 h SER 41 CO -0.09 0.25 0.20 -0.65 -0.53 0.00 0.00 176.83 176.02 1oi4 h PRO 42 N -0.65 0.66 -0.53 2.24 0.11 -1.72 -2.14 132.00 129.97 1oi4 h PRO 42 Ca -0.02 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 66.04 1oi4 h PRO 42 Cb 0.48 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 1oi4 h PRO 42 CO 0.04 0.57 0.25 0.00 -0.21 0.00 0.00 178.00 178.65 1oi4 h ALA 43 N 1.05 0.68 -0.70 -0.75 0.00 -1.12 0.70 119.26 119.13 1oi4 h ALA 43 Ca 0.15 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1oi4 h ALA 43 Cb 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1oi4 h ALA 43 CO -0.02 -0.11 0.25 -0.44 0.00 0.00 0.00 179.25 178.94 1oi4 h ASP 44 N 0.48 0.97 -0.37 0.00 3.45 -0.97 -0.32 116.42 119.65 1oi4 h ASP 44 Ca 0.24 -0.15 -0.10 0.00 0.43 0.00 0.00 57.03 57.45 1oi4 h ASP 44 Cb 0.18 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 1oi4 h ASP 44 CO -0.19 0.88 -0.15 -0.33 -1.57 0.00 0.00 179.24 177.88 1oi4 h GLU 45 N 1.02 0.76 -0.49 3.56 4.39 -0.72 -1.77 114.58 121.32 1oi4 h GLU 45 Ca 0.23 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1oi4 h GLU 45 Cb 0.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1oi4 h GLU 45 CO -0.02 0.93 0.21 0.74 -1.16 0.00 0.00 179.01 179.71 1oi4 h PHE 46 N 0.55 0.74 -0.16 4.33 0.05 -0.60 -2.06 116.94 119.79 1oi4 h PHE 46 Ca 0.09 -0.05 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1oi4 h PHE 46 Cb 0.69 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.41 1oi4 h PHE 46 CO 0.06 0.61 0.09 -0.09 -0.18 0.00 0.00 178.31 178.80 1oi4 h ARG 47 N 0.66 0.23 0.00 1.51 2.43 -1.00 -0.76 114.38 117.45 1oi4 h ARG 47 Ca 0.17 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1oi4 h ARG 47 Cb 0.18 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1oi4 h ARG 47 CO -0.02 0.22 -0.01 0.87 -1.51 0.00 0.00 179.97 179.52 1oi4 h LYS 48 N 0.17 0.00 -0.01 0.20 1.57 -1.20 0.67 116.57 117.98 1oi4 h LYS 48 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1oi4 h LYS 48 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1oi4 h LYS 48 CO -0.01 0.01 -0.11 0.00 -0.57 0.00 0.00 179.45 178.77 1oi4 n ALA 49 N -2.32 2.78 -0.45 3.86 0.00 -0.69 -4.92 120.51 118.78 1oi4 n ALA 49 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1oi4 n ALA 49 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1oi4 n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oi4 n GLY 50 N 1.25 0.75 3.91 0.00 0.00 0.23 -5.07 105.19 106.26 1oi4 n GLY 50 Ca 0.15 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1oi4 n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oi4 s HIS 51 N -2.00 3.54 0.31 1.61 3.76 -0.38 -4.50 115.29 117.63 1oi4 s HIS 51 Ca 0.00 0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 55.24 1oi4 s HIS 51 Cb 0.00 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 1oi4 s HIS 51 CO 0.00 0.61 0.55 -2.00 -0.85 0.00 0.00 174.74 173.04 1oi4 s GLU 52 N -2.19 3.56 -0.10 1.40 2.12 -0.19 -3.83 118.70 119.48 1oi4 s GLU 52 Ca 0.31 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.53 1oi4 s GLU 52 Cb -0.13 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.61 1oi4 s GLU 52 CO 0.22 0.19 -0.17 0.08 -0.54 0.00 0.00 175.26 175.05 1oi4 s VAL 53 N -2.17 1.56 -0.26 3.70 1.01 -1.18 -1.53 120.40 121.53 1oi4 s VAL 53 Ca 0.42 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1oi4 s VAL 53 Cb -0.10 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.93 1oi4 s VAL 53 CO 0.33 0.45 -0.10 -0.63 0.00 0.00 0.00 175.10 175.15 1oi4 s ILE 54 N 0.72 2.38 0.07 2.22 1.09 -0.34 -4.69 121.20 122.66 1oi4 s ILE 54 Ca -0.12 -1.44 -0.29 0.00 -1.10 0.00 0.00 60.65 57.70 1oi4 s ILE 54 Cb -0.16 -2.33 -0.05 0.00 -1.06 0.00 0.00 42.46 38.86 1oi4 s ILE 54 CO 0.03 0.05 0.92 0.42 -0.10 0.00 0.00 174.94 176.25 1oi4 s THR 55 N 1.17 4.62 -0.06 2.92 -4.23 -1.26 -0.82 115.64 117.98 1oi4 s THR 55 Ca -0.06 1.96 0.03 0.00 -1.18 0.00 0.00 61.69 62.45 1oi4 s THR 55 Cb -0.19 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.38 1oi4 s THR 55 CO -0.05 0.30 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.54 1oi4 s ILE 56 N 0.17 1.39 0.00 2.99 1.01 0.16 -1.57 121.20 125.35 1oi4 s ILE 56 Ca 0.46 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1oi4 s ILE 56 Cb -0.22 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1oi4 s ILE 56 CO 0.28 0.41 0.00 1.21 0.00 0.00 0.00 174.94 176.84 1oi4 n GLU 57 N 3.51 0.00 -0.02 2.79 2.13 -0.63 -1.79 120.64 126.64 1oi4 n GLU 57 Ca -0.20 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.69 1oi4 n GLU 57 Cb 0.52 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.09 1oi4 n GLU 57 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1oi4 n LYS 58 N 0.00 0.63 -3.69 5.31 5.02 -1.26 -0.01 118.16 124.16 1oi4 n LYS 58 Ca 0.00 -0.15 -0.25 0.00 -2.02 0.00 0.00 58.31 55.89 1oi4 n LYS 58 Cb 0.00 -1.45 -0.17 0.00 -0.02 0.00 0.00 35.03 33.39 1oi4 n LYS 58 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1oi4 s GLN 59 N -3.21 0.32 0.41 1.97 0.74 -1.26 -4.69 119.66 113.94 1oi4 s GLN 59 Ca -0.07 -0.04 -0.26 0.00 0.05 0.00 0.00 55.36 55.04 1oi4 s GLN 59 Cb 0.11 -1.45 -0.09 0.00 1.10 0.00 0.00 33.01 32.68 1oi4 s GLN 59 CO 0.78 -0.51 1.40 0.00 -0.55 0.00 0.00 175.29 176.40 1oi4 s ALA 60 N 2.03 3.35 0.00 1.58 0.00 -1.26 -2.19 121.76 125.27 1oi4 s ALA 60 Ca 0.03 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1oi4 s ALA 60 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1oi4 s ALA 60 CO -0.07 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1oi4 n GLY 61 N 0.59 2.15 3.77 0.00 0.00 0.77 -4.99 105.19 107.48 1oi4 n GLY 61 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1oi4 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oi4 s LYS 62 N -0.42 2.87 -0.19 1.61 2.20 -0.93 -4.69 119.74 120.19 1oi4 s LYS 62 Ca 0.00 1.38 -0.03 0.00 -0.36 0.00 0.00 55.97 56.96 1oi4 s LYS 62 Cb 0.00 -1.96 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 1oi4 s LYS 62 CO 0.00 -1.19 -0.07 0.99 -0.36 0.00 0.00 175.35 174.71 1oi4 s THR 63 N -2.33 3.25 -0.03 3.43 2.01 -1.26 -0.55 115.64 120.16 1oi4 s THR 63 Ca 0.67 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1oi4 s THR 63 Cb -0.20 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1oi4 s THR 63 CO 0.41 0.46 -0.04 0.68 -0.69 0.00 0.00 174.62 175.44 1oi4 s VAL 64 N 1.11 3.89 -0.04 3.82 -7.23 -0.38 -4.94 120.40 116.63 1oi4 s VAL 64 Ca 0.01 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 1oi4 s VAL 64 Cb -0.15 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 1oi4 s VAL 64 CO -0.01 0.48 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.64 1oi4 s LYS 65 N -1.19 2.65 0.60 4.82 1.02 -1.26 -0.90 119.74 125.48 1oi4 s LYS 65 Ca 0.16 -0.62 -0.18 0.00 0.02 0.00 0.00 55.97 55.34 1oi4 s LYS 65 Cb -0.11 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1oi4 s LYS 65 CO 0.06 0.64 1.20 0.20 -0.92 0.00 0.00 175.35 176.53 1oi4 s GLY 66 N -1.02 2.69 0.32 -3.33 0.00 0.13 -0.97 107.32 105.15 1oi4 s GLY 66 Ca 0.14 0.99 0.09 0.00 0.00 0.00 0.00 44.72 45.94 1oi4 s GLY 66 CO 0.03 1.38 1.74 1.70 0.00 0.00 0.00 173.10 177.95 1oi4 h LYS 67 N 0.77 0.60 -0.01 2.90 3.64 -0.87 0.41 116.57 124.01 1oi4 h LYS 67 Ca -0.50 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1oi4 h LYS 67 Cb 1.30 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1oi4 h LYS 67 CO 0.55 0.39 -0.06 1.63 -2.27 0.00 0.00 179.45 179.69 1oi4 n LYS 68 N -4.85 1.13 -0.95 1.90 5.02 -1.26 -4.91 118.16 114.23 1oi4 n LYS 68 Ca 0.26 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1oi4 n LYS 68 Cb 0.71 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 1oi4 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oi4 n GLY 69 N 1.18 0.27 0.08 0.72 0.00 0.14 -4.86 105.19 102.72 1oi4 n GLY 69 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 1oi4 n GLY 69 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1oi4 h GLU 70 N 0.63 0.10 -5.43 1.61 5.08 -1.89 -3.46 114.58 111.21 1oi4 h GLU 70 Ca 0.00 -0.17 -0.50 0.00 -1.00 0.00 0.00 59.36 57.70 1oi4 h GLU 70 Cb 0.44 0.06 -0.28 0.00 0.50 0.00 0.00 28.75 29.47 1oi4 h GLU 70 CO 0.00 1.03 -0.81 0.00 -1.00 0.00 0.00 179.01 178.23 1oi4 s ALA 71 N -2.68 1.27 -0.05 3.43 0.00 -1.26 -0.69 121.76 121.77 1oi4 s ALA 71 Ca -0.02 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1oi4 s ALA 71 Cb 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1oi4 s ALA 71 CO 0.84 0.29 -0.13 -1.12 0.00 0.00 0.00 175.76 175.65 1oi4 s SER 72 N -0.58 1.75 0.02 0.00 0.01 -1.26 0.18 113.70 113.81 1oi4 s SER 72 Ca 0.05 -0.29 0.06 0.00 1.31 0.00 0.00 55.95 57.08 1oi4 s SER 72 Cb -0.06 -0.70 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 1oi4 s SER 72 CO 0.00 0.06 -0.17 0.68 0.41 0.00 0.00 173.24 174.22 1oi4 s VAL 73 N 0.48 1.34 0.13 3.43 -7.23 -0.08 -4.28 120.40 114.20 1oi4 s VAL 73 Ca -0.11 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 58.88 1oi4 s VAL 73 Cb -0.14 -1.16 -0.07 0.00 0.56 0.00 0.00 36.38 35.57 1oi4 s VAL 73 CO 0.03 0.21 0.77 -0.89 -0.31 0.00 0.00 175.10 174.91 1oi4 s THR 74 N -0.64 4.48 -0.13 5.32 2.01 -1.26 -1.25 115.64 124.17 1oi4 s THR 74 Ca 0.05 1.67 -0.23 0.00 0.31 0.00 0.00 61.69 63.49 1oi4 s THR 74 Cb -0.07 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 1oi4 s THR 74 CO 0.01 0.48 0.71 -0.63 -0.69 0.00 0.00 174.62 174.50 1oi4 s ILE 75 N -0.85 5.00 0.01 1.82 1.01 0.29 -4.76 121.20 123.72 1oi4 s ILE 75 Ca 0.36 1.41 -0.15 0.00 0.00 0.00 0.00 60.65 62.27 1oi4 s ILE 75 Cb -0.22 -4.03 -0.34 0.00 0.01 0.00 0.00 42.46 37.87 1oi4 s ILE 75 CO 0.25 0.16 0.91 0.44 0.00 0.00 0.00 174.94 176.70 1oi4 h ASP 76 N 7.10 0.77 -5.17 3.58 3.32 -1.63 0.22 116.42 124.62 1oi4 h ASP 76 Ca -0.35 -0.93 -0.13 0.00 0.02 0.00 0.00 57.03 55.64 1oi4 h ASP 76 Cb 1.16 -0.25 -0.17 0.00 0.22 0.00 0.00 39.33 40.30 1oi4 h ASP 76 CO 0.78 1.71 -0.67 -0.54 -1.72 0.00 0.00 179.24 178.80 1oi4 s LYS 77 N -2.58 0.55 0.19 3.56 -0.14 -0.71 -4.60 119.74 116.00 1oi4 s LYS 77 Ca -0.11 -1.04 -0.17 0.00 -1.36 0.00 0.00 55.97 53.29 1oi4 s LYS 77 Cb 0.04 0.19 -0.08 0.00 -1.68 0.00 0.00 37.83 36.31 1oi4 s LYS 77 CO 0.92 -0.10 0.63 0.45 -0.76 0.00 0.00 175.35 176.49 1oi4 s SER 78 N -2.53 6.93 0.62 2.83 0.15 -1.26 -1.61 113.70 118.83 1oi4 s SER 78 Ca 0.01 1.24 0.42 0.00 0.70 0.00 0.00 55.95 58.31 1oi4 s SER 78 Cb 0.03 -2.35 2.21 0.00 -1.71 0.00 0.00 66.02 64.20 1oi4 s SER 78 CO -0.08 0.06 2.27 -0.29 1.20 0.00 0.00 173.24 176.41 1oi4 h ILE 79 N 2.75 0.00 0.00 6.45 2.10 -0.71 -1.14 117.51 126.96 1oi4 h ILE 79 Ca -0.48 -0.06 -0.01 0.00 1.08 0.00 0.00 64.86 65.39 1oi4 h ILE 79 Cb 1.19 1.01 -0.00 0.00 -1.09 0.00 0.00 36.82 37.93 1oi4 h ILE 79 CO 0.65 0.00 -0.05 0.44 -1.08 0.00 0.00 178.15 178.12 1oi4 h ASP 80 N 0.00 0.00 -0.35 2.19 3.32 -1.92 -3.28 116.42 116.38 1oi4 h ASP 80 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1oi4 h ASP 80 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1oi4 h ASP 80 CO 0.00 0.05 0.00 -1.84 -1.72 0.00 0.00 179.24 175.73 1oi4 n GLU 81 N -3.14 3.36 -4.25 3.56 0.28 -0.43 -4.99 120.64 115.03 1oi4 n GLU 81 Ca 0.02 -2.84 -0.14 0.00 -0.16 0.00 0.00 57.16 54.03 1oi4 n GLU 81 Cb 0.41 -1.88 -0.10 0.00 1.43 0.00 0.00 31.44 31.30 1oi4 n GLU 81 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1oi4 s VAL 82 N -2.60 0.72 0.05 3.84 -7.23 -1.24 -4.95 120.40 108.99 1oi4 s VAL 82 Ca 0.44 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1oi4 s VAL 82 Cb 0.34 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 1oi4 s VAL 82 CO 0.12 -0.45 -0.10 0.28 -0.31 0.00 0.00 175.10 174.64 1oi4 s THR 83 N -3.63 0.70 0.52 5.32 -1.32 -1.26 -5.00 115.64 110.97 1oi4 s THR 83 Ca 0.25 -1.12 0.19 0.00 -1.21 0.00 0.00 61.69 59.80 1oi4 s THR 83 Cb 0.06 -0.73 0.27 0.00 -1.51 0.00 0.00 72.50 70.59 1oi4 s THR 83 CO 0.05 -0.32 2.14 -0.65 -2.21 0.00 0.00 174.62 173.63 1oi4 h PRO 84 N 4.49 0.00 -0.98 7.08 0.11 -1.96 -2.78 132.00 137.96 1oi4 h PRO 84 Ca -0.37 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.82 1oi4 h PRO 84 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 1oi4 h PRO 84 CO 0.41 0.04 0.63 0.00 -0.21 0.00 0.00 178.00 178.87 1oi4 h ALA 85 N 1.96 1.47 0.00 -0.75 0.00 -1.97 -2.62 119.26 117.36 1oi4 h ALA 85 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1oi4 h ALA 85 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1oi4 h ALA 85 CO 0.01 0.36 0.00 -0.85 0.00 0.00 0.00 179.25 178.76 1oi4 n GLU 86 N -4.53 0.33 -4.17 0.00 0.28 -1.05 -4.83 120.64 106.68 1oi4 n GLU 86 Ca 0.16 0.06 -0.26 0.00 -0.16 0.00 0.00 57.16 56.96 1oi4 n GLU 86 Cb 0.24 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.54 1oi4 n GLU 86 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1oi4 s PHE 87 N -2.57 2.93 -0.12 -1.84 0.40 -0.99 -4.81 117.98 110.98 1oi4 s PHE 87 Ca 0.22 -0.10 0.17 0.00 -0.60 0.00 0.00 56.93 56.62 1oi4 s PHE 87 Cb 0.16 -1.42 -0.21 0.00 0.51 0.00 0.00 43.02 42.06 1oi4 s PHE 87 CO 0.36 0.52 0.53 -0.25 0.70 0.00 0.00 175.22 177.07 1oi4 n ASP 88 N -0.17 0.48 -3.88 1.36 8.00 0.44 -4.97 116.55 117.80 1oi4 n ASP 88 Ca -0.09 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.53 1oi4 n ASP 88 Cb 0.55 0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 42.27 1oi4 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oi4 s ALA 89 N -2.84 -0.74 -0.04 2.24 0.00 -1.07 -4.10 121.76 115.21 1oi4 s ALA 89 Ca -0.06 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1oi4 s ALA 89 Cb 0.09 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.16 1oi4 s ALA 89 CO 0.83 -0.90 -0.05 -1.17 0.00 0.00 0.00 175.76 174.48 1oi4 s LEU 90 N -2.95 1.47 -0.11 0.00 2.96 -0.77 -0.47 118.68 118.82 1oi4 s LEU 90 Ca 0.15 -0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 1oi4 s LEU 90 Cb -0.02 -0.43 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 1oi4 s LEU 90 CO 0.05 -0.02 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.76 1oi4 s LEU 91 N 0.69 3.08 -0.41 -0.68 2.96 0.13 -0.02 118.68 124.43 1oi4 s LEU 91 Ca -0.09 -0.13 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1oi4 s LEU 91 Cb -0.12 -1.70 0.12 0.00 0.50 0.00 0.00 46.19 44.99 1oi4 s LEU 91 CO 0.00 0.25 0.18 -0.76 -1.32 0.00 0.00 176.35 174.71 1oi4 s LEU 92 N -0.16 3.24 0.77 -0.68 1.43 0.71 -2.94 118.68 121.04 1oi4 s LEU 92 Ca 0.02 -2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 50.61 1oi4 s LEU 92 Cb -0.13 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 44.93 1oi4 s LEU 92 CO 0.03 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.22 1oi4 s PRO 93 N 0.60 2.32 0.00 1.29 0.04 -1.26 -2.62 135.00 135.37 1oi4 s PRO 93 Ca 0.15 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1oi4 s PRO 93 Cb -0.22 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1oi4 s PRO 93 CO -0.07 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.81 1oi4 n GLY 94 N -1.37 1.17 7.00 0.56 0.00 -1.16 -4.05 105.19 107.34 1oi4 n GLY 94 Ca 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1oi4 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi4 n GLY 95 N 5.00 -0.17 0.94 -0.02 0.00 -1.26 -2.32 105.19 107.35 1oi4 n GLY 95 Ca 0.00 -1.04 0.11 0.00 0.00 0.00 0.00 46.02 45.09 1oi4 n GLY 95 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oi4 n HIS 96 N 0.92 0.40 -0.04 1.61 8.25 0.51 -4.44 115.22 122.44 1oi4 n HIS 96 Ca 0.00 -0.20 -0.10 0.00 -0.26 0.00 0.00 57.72 57.16 1oi4 n HIS 96 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1oi4 n HIS 96 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1oi4 h SER 97 N 3.63 0.15 -0.69 0.41 0.87 -1.57 -2.69 113.55 113.65 1oi4 h SER 97 Ca 0.00 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1oi4 h SER 97 Cb 0.80 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.70 1oi4 h SER 97 CO 0.00 0.11 0.46 -0.65 -0.53 0.00 0.00 176.83 176.22 1oi4 h PRO 98 N 0.20 0.85 -0.63 2.24 0.11 -1.77 -1.33 132.00 131.67 1oi4 h PRO 98 Ca 0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1oi4 h PRO 98 Cb 0.01 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 1oi4 h PRO 98 CO -0.05 0.57 0.37 0.22 -0.21 0.00 0.00 178.00 178.90 1oi4 h ASP 99 N 0.88 0.77 -0.15 -2.05 -0.00 -1.79 0.18 116.42 114.26 1oi4 h ASP 99 Ca 0.26 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.03 57.11 1oi4 h ASP 99 Cb -0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.10 1oi4 h ASP 99 CO -0.07 0.61 -0.30 1.88 -0.00 0.00 0.00 179.24 181.37 1oi4 h TYR 100 N 0.86 0.73 0.03 0.28 0.99 -1.08 -3.29 116.97 115.49 1oi4 h TYR 100 Ca 0.23 -0.18 -0.26 0.00 2.00 0.00 0.00 58.73 60.51 1oi4 h TYR 100 Cb -0.00 -0.17 -0.03 0.00 1.00 0.00 0.00 36.73 37.53 1oi4 h TYR 100 CO -0.02 0.86 -1.34 -0.07 -0.00 0.00 0.00 178.16 177.59 1oi4 h LEU 101 N 0.55 0.11 0.00 3.88 3.38 -0.93 -3.34 115.31 118.95 1oi4 h LEU 101 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1oi4 h LEU 101 Cb 0.79 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1oi4 h LEU 101 CO 0.06 1.13 0.00 -2.11 0.09 0.00 0.00 178.44 177.61 1oi4 n ARG 102 N -3.30 0.23 -0.22 1.13 1.85 0.60 -1.72 116.66 115.22 1oi4 n ARG 102 Ca -0.09 0.13 0.11 0.00 -1.00 0.00 0.00 57.85 57.00 1oi4 n ARG 102 Cb 1.00 -1.50 0.27 0.00 -1.05 0.00 0.00 32.46 31.18 1oi4 n ARG 102 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1oi4 n GLY 103 N -0.15 1.51 3.09 2.89 0.00 -1.25 -4.79 105.19 106.48 1oi4 n GLY 103 Ca 0.07 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 1oi4 n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1oi4 s ASP 104 N -1.29 4.07 0.53 1.61 3.68 -0.70 -5.01 116.67 119.55 1oi4 s ASP 104 Ca 0.38 -1.18 0.32 0.00 2.13 0.00 0.00 52.55 54.20 1oi4 s ASP 104 Cb 0.21 -1.53 1.46 0.00 -1.45 0.00 0.00 42.92 41.61 1oi4 s ASP 104 CO 0.29 -0.13 1.86 -0.55 0.13 0.00 0.00 175.17 176.77 1oi4 h ASN 105 N 7.82 0.04 -0.52 -0.34 7.08 -1.86 -1.70 115.58 126.10 1oi4 h ASN 105 Ca -0.27 0.01 -0.00 0.00 -3.08 0.00 0.00 56.30 52.95 1oi4 h ASN 105 Cb 1.07 -0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.28 1oi4 h ASN 105 CO 0.51 0.01 0.31 0.03 -2.08 0.00 0.00 177.43 176.22 1oi4 h ARG 106 N 0.04 0.70 -0.07 4.14 3.08 -1.95 0.58 114.38 120.90 1oi4 h ARG 106 Ca 0.47 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.29 1oi4 h ARG 106 Cb 1.81 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 1oi4 h ARG 106 CO -0.03 0.51 -0.69 0.74 -1.07 0.00 0.00 179.97 179.44 1oi4 h PHE 107 N 0.69 0.44 -0.38 3.04 -1.00 -1.58 -1.59 116.94 116.57 1oi4 h PHE 107 Ca 0.19 -0.19 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1oi4 h PHE 107 Cb -0.01 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1oi4 h PHE 107 CO -0.03 0.92 -0.06 0.28 -1.61 0.00 0.00 178.31 177.81 1oi4 h VAL 108 N 0.23 1.27 -0.63 -0.55 2.07 -1.32 -1.09 116.25 116.23 1oi4 h VAL 108 Ca -0.02 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1oi4 h VAL 108 Cb 1.24 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1oi4 h VAL 108 CO 0.11 0.37 0.06 0.74 0.02 0.00 0.00 177.57 178.87 1oi4 h THR 109 N 0.53 1.26 -0.20 2.57 2.02 -0.84 -0.17 112.91 118.08 1oi4 h THR 109 Ca 0.10 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.19 1oi4 h THR 109 Cb 0.57 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1oi4 h THR 109 CO 0.03 0.40 0.10 0.15 0.37 0.00 0.00 175.52 176.58 1oi4 h PHE 110 N 1.00 0.28 -0.40 3.16 3.57 -1.14 -0.45 116.94 122.96 1oi4 h PHE 110 Ca 0.19 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1oi4 h PHE 110 Cb 0.49 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1oi4 h PHE 110 CO 0.04 0.27 0.24 1.15 -2.23 0.00 0.00 178.31 177.78 1oi4 h THR 111 N 0.21 1.13 0.28 4.41 2.02 -0.99 -0.38 112.91 119.58 1oi4 h THR 111 Ca 0.07 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1oi4 h THR 111 Cb 0.09 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1oi4 h THR 111 CO -0.01 0.13 -0.13 -0.09 0.37 0.00 0.00 175.52 175.79 1oi4 h ARG 112 N 0.52 -0.36 -0.75 6.66 2.43 -0.81 -1.13 114.38 120.95 1oi4 h ARG 112 Ca 0.14 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1oi4 h ARG 112 Cb 0.00 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1oi4 h ARG 112 CO -0.03 -0.24 0.39 -0.44 -1.51 0.00 0.00 179.97 178.14 1oi4 h ASP 113 N -0.38 0.94 -0.20 -3.80 3.45 -1.01 -0.68 116.42 114.75 1oi4 h ASP 113 Ca -0.04 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 1oi4 h ASP 113 Cb 0.29 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1oi4 h ASP 113 CO 0.06 0.78 0.04 0.15 -1.57 0.00 0.00 179.24 178.70 1oi4 h PHE 114 N 1.05 0.34 -0.47 4.55 3.57 -0.88 -1.97 116.94 123.13 1oi4 h PHE 114 Ca 0.26 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1oi4 h PHE 114 Cb 0.06 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1oi4 h PHE 114 CO 0.01 0.46 0.30 0.28 -2.23 0.00 0.00 178.31 177.13 1oi4 h VAL 115 N 0.12 1.13 0.00 1.41 2.07 -0.95 -1.63 116.25 118.41 1oi4 h VAL 115 Ca 0.06 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1oi4 h VAL 115 Cb 0.30 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1oi4 h VAL 115 CO 0.00 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.32 1oi4 n ASN 116 N -4.74 0.20 0.11 0.57 3.02 -0.28 -1.47 115.26 112.67 1oi4 n ASN 116 Ca 0.02 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.26 1oi4 n ASN 116 Cb 0.04 -0.60 0.34 0.00 -0.61 0.00 0.00 39.78 38.95 1oi4 n ASN 116 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1oi4 h SER 117 N 0.00 0.00 0.00 6.41 4.64 -0.50 -3.47 113.55 120.63 1oi4 h SER 117 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1oi4 h SER 117 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1oi4 h SER 117 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1oi4 n GLY 118 N 1.28 1.40 3.77 -0.77 0.00 -0.54 -5.04 105.19 105.29 1oi4 n GLY 118 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1oi4 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oi4 s LYS 119 N -0.49 3.20 0.37 1.61 1.02 -1.25 -4.89 119.74 119.31 1oi4 s LYS 119 Ca 0.00 1.59 -0.28 0.00 0.02 0.00 0.00 55.97 57.30 1oi4 s LYS 119 Cb 0.00 -1.99 -0.11 0.00 -0.52 0.00 0.00 37.83 35.21 1oi4 s LYS 119 CO 0.00 -0.97 1.44 -2.30 -0.92 0.00 0.00 175.35 172.60 1oi4 n PRO 120 N -1.56 2.54 -4.24 -1.68 -0.02 -1.26 -4.76 135.00 124.02 1oi4 n PRO 120 Ca 0.12 0.89 -0.20 0.00 -2.02 0.00 0.00 63.50 62.29 1oi4 n PRO 120 Cb 0.51 -2.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 1oi4 n PRO 120 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oi4 s VAL 121 N -1.12 0.61 -0.26 -1.45 1.01 -0.56 -1.84 120.40 116.80 1oi4 s VAL 121 Ca 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 1oi4 s VAL 121 Cb -0.50 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1oi4 s VAL 121 CO 0.63 0.23 -0.06 -0.36 0.00 0.00 0.00 175.10 175.54 1oi4 s PHE 122 N 0.70 3.14 -0.12 5.22 2.99 0.97 -0.94 117.98 129.94 1oi4 s PHE 122 Ca -0.10 -1.77 0.01 0.00 0.00 0.00 0.00 56.93 55.08 1oi4 s PHE 122 Cb -0.13 -2.05 0.02 0.00 0.00 0.00 0.00 43.02 40.86 1oi4 s PHE 122 CO 0.01 -0.78 -0.15 0.00 -0.00 0.00 0.00 175.22 174.30 1oi4 s ALA 123 N 1.27 1.74 0.07 5.36 0.00 0.34 -0.21 121.76 130.33 1oi4 s ALA 123 Ca -0.03 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.24 1oi4 s ALA 123 Cb -0.18 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1oi4 s ALA 123 CO -0.04 -0.15 -0.22 -1.50 0.00 0.00 0.00 175.76 173.85 1oi4 s ILE 124 N 1.11 1.77 0.00 0.00 2.07 -1.08 -2.60 121.20 122.48 1oi4 s ILE 124 Ca -0.04 -1.36 0.00 0.00 -1.41 0.00 0.00 60.65 57.84 1oi4 s ILE 124 Cb -0.14 -1.56 0.00 0.00 0.13 0.00 0.00 42.46 40.89 1oi4 s ILE 124 CO -0.04 0.14 0.00 0.00 -1.91 0.00 0.00 174.94 173.13 1oi4 n HIS 126 N 3.77 0.33 -0.32 0.00 8.25 -1.26 -2.82 115.22 123.16 1oi4 n HIS 126 Ca 0.00 0.10 0.21 0.00 -0.26 0.00 0.00 57.72 57.77 1oi4 n HIS 126 Cb 0.00 -0.59 0.41 0.00 1.12 0.00 0.00 29.99 30.94 1oi4 n HIS 126 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1oi4 h GLY 127 N 4.79 1.73 1.59 -1.41 0.00 -1.02 0.15 103.07 108.91 1oi4 h GLY 127 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1oi4 h GLY 127 CO 0.00 -0.57 0.20 -2.55 0.00 0.00 0.00 176.54 173.62 1oi4 h PRO 128 N 0.11 0.00 -0.77 4.80 0.11 -1.79 -2.42 132.00 132.03 1oi4 h PRO 128 Ca 0.69 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.95 1oi4 h PRO 128 Cb 1.59 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.65 1oi4 h PRO 128 CO -0.76 0.00 0.51 1.96 -0.21 0.00 0.00 178.00 179.50 1oi4 h GLN 129 N 0.00 0.43 -0.08 1.05 4.20 -1.02 0.20 115.11 119.90 1oi4 h GLN 129 Ca 0.00 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 1oi4 h GLN 129 Cb 0.39 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1oi4 h GLN 129 CO 0.00 0.29 -0.53 -0.07 -0.67 0.00 0.00 178.83 177.85 1oi4 h LEU 130 N 0.45 0.24 -0.67 1.46 3.38 -1.65 -1.20 115.31 117.33 1oi4 h LEU 130 Ca 0.38 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1oi4 h LEU 130 Cb 0.83 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1oi4 h LEU 130 CO -0.13 0.73 -0.34 -0.07 0.09 0.00 0.00 178.44 178.72 1oi4 h LEU 131 N 0.17 0.69 0.07 1.67 3.38 -0.85 -0.67 115.31 119.78 1oi4 h LEU 131 Ca 0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1oi4 h LEU 131 Cb 0.99 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1oi4 h LEU 131 CO 0.08 0.97 -0.03 0.40 0.09 0.00 0.00 178.44 179.95 1oi4 h ILE 132 N 0.56 1.06 -0.61 1.22 2.04 -0.72 -1.63 117.51 119.42 1oi4 h ILE 132 Ca 0.06 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.54 1oi4 h ILE 132 Cb 0.84 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1oi4 h ILE 132 CO 0.07 0.10 0.40 0.28 0.00 0.00 0.00 178.15 179.01 1oi4 h SER 133 N -0.27 0.62 1.16 1.72 0.02 -1.03 0.32 113.55 116.08 1oi4 h SER 133 Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1oi4 h SER 133 Cb 0.24 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1oi4 h SER 133 CO 0.02 0.43 0.00 0.00 -1.14 0.00 0.00 176.83 176.13 1oi4 n ALA 134 N -2.46 2.01 -3.55 3.77 0.00 -0.28 -4.93 120.51 115.08 1oi4 n ALA 134 Ca 0.07 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1oi4 n ALA 134 Cb 0.13 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.19 1oi4 n ALA 134 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1oi4 n ASP 135 N -2.28 -3.75 -0.70 0.00 2.03 0.11 -4.83 116.55 107.13 1oi4 n ASP 135 Ca 0.04 -0.82 0.06 0.00 0.52 0.00 0.00 54.79 54.58 1oi4 n ASP 135 Cb 0.34 -4.29 0.14 0.00 -0.72 0.00 0.00 41.12 36.59 1oi4 n ASP 135 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1oi4 n VAL 136 N -3.96 1.46 -0.12 5.18 0.24 -1.12 -4.77 118.33 115.24 1oi4 n VAL 136 Ca -0.19 -2.29 0.00 0.00 -2.04 0.00 0.00 64.34 59.83 1oi4 n VAL 136 Cb 0.64 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1oi4 n VAL 136 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1oi4 n ILE 137 N -0.71 0.18 -1.68 1.34 -5.35 -1.26 -4.93 119.36 106.94 1oi4 n ILE 137 Ca 0.14 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.66 1oi4 n ILE 137 Cb 0.79 1.00 -0.03 0.00 -1.74 0.00 0.00 39.64 39.66 1oi4 n ILE 137 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1oi4 n ARG 138 N -0.09 2.77 -0.42 6.28 0.63 -1.22 -0.75 116.66 123.86 1oi4 n ARG 138 Ca 0.00 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 57.94 1oi4 n ARG 138 Cb 0.08 -2.91 0.00 0.00 0.45 0.00 0.00 32.46 30.08 1oi4 n ARG 138 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oi4 n GLY 139 N 4.29 1.56 3.92 5.14 0.00 0.12 -4.88 105.19 115.35 1oi4 n GLY 139 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1oi4 n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oi4 s ARG 140 N -0.22 3.48 -0.08 1.61 0.52 0.07 -4.75 118.95 119.58 1oi4 s ARG 140 Ca 0.00 -0.41 -0.19 0.00 -0.52 0.00 0.00 55.73 54.61 1oi4 s ARG 140 Cb 0.00 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 1oi4 s ARG 140 CO 0.00 0.53 0.52 0.15 0.02 0.00 0.00 175.30 176.52 1oi4 s LYS 141 N -2.86 4.32 0.17 3.54 1.02 -1.26 -1.13 119.74 123.54 1oi4 s LYS 141 Ca 0.36 0.56 -0.24 0.00 0.02 0.00 0.00 55.97 56.67 1oi4 s LYS 141 Cb -0.12 -3.41 0.07 0.00 -0.52 0.00 0.00 37.83 33.86 1oi4 s LYS 141 CO 0.28 0.22 1.00 -0.48 -0.92 0.00 0.00 175.35 175.45 1oi4 s LEU 142 N 0.38 -0.09 0.41 3.17 0.05 -1.08 -4.24 118.68 117.29 1oi4 s LEU 142 Ca 0.28 -0.53 0.04 0.00 0.05 0.00 0.00 54.13 53.97 1oi4 s LEU 142 Cb -0.16 2.11 -0.02 0.00 -2.05 0.00 0.00 46.19 46.07 1oi4 s LEU 142 CO 0.13 -0.94 0.15 0.28 -0.55 0.00 0.00 176.35 175.42 1oi4 s THR 143 N -2.74 0.49 -0.01 5.48 -1.32 -1.26 -2.10 115.64 114.18 1oi4 s THR 143 Ca 0.16 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.35 1oi4 s THR 143 Cb -0.02 -2.32 0.11 0.00 -1.51 0.00 0.00 72.50 68.76 1oi4 s THR 143 CO 0.04 0.00 1.28 0.00 -2.21 0.00 0.00 174.62 173.73 1oi4 s ALA 144 N -3.21 -2.34 0.41 11.08 0.00 -1.26 -4.49 121.76 121.95 1oi4 s ALA 144 Ca 0.24 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 1oi4 s ALA 144 Cb 0.02 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.70 1oi4 s ALA 144 CO 0.16 -1.10 1.17 0.54 0.00 0.00 0.00 175.76 176.53 1oi4 s VAL 145 N -2.19 3.12 0.16 0.00 0.11 -1.13 -4.64 120.40 115.83 1oi4 s VAL 145 Ca 0.22 0.93 -0.21 0.00 -2.93 0.00 0.00 61.98 59.99 1oi4 s VAL 145 Cb 0.02 -3.52 0.05 0.00 -1.53 0.00 0.00 36.38 31.40 1oi4 s VAL 145 CO -0.02 0.07 1.30 0.29 -3.33 0.00 0.00 175.10 173.41 1oi4 n LYS 146 N 0.00 -0.30 0.06 1.54 5.02 -1.26 -1.73 118.16 121.50 1oi4 n LYS 146 Ca 0.05 1.28 0.21 0.00 -2.02 0.00 0.00 58.31 57.83 1oi4 n LYS 146 Cb 0.47 -1.89 0.74 0.00 -0.02 0.00 0.00 35.03 34.32 1oi4 n LYS 146 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1oi4 h PRO 147 N 0.00 0.00 -0.26 1.97 0.13 -2.00 -2.22 132.00 129.62 1oi4 h PRO 147 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1oi4 h PRO 147 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1oi4 h PRO 147 CO -0.81 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 177.40 1oi4 n ILE 148 N -3.80 0.46 -0.25 -3.56 -5.35 -0.70 -4.53 119.36 101.62 1oi4 n ILE 148 Ca 0.08 -0.73 0.04 0.00 -0.27 0.00 0.00 62.75 61.88 1oi4 n ILE 148 Cb 0.64 0.96 0.17 0.00 -1.74 0.00 0.00 39.64 39.68 1oi4 n ILE 148 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1oi4 h ILE 149 N 3.27 0.67 -0.64 7.28 2.04 -1.35 0.32 117.51 129.10 1oi4 h ILE 149 Ca 0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1oi4 h ILE 149 Cb 0.78 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1oi4 h ILE 149 CO 0.00 0.08 0.31 -0.29 0.00 0.00 0.00 178.15 178.25 1oi4 h ILE 150 N 0.44 1.21 -0.30 -0.67 6.09 -1.80 -1.75 117.51 120.73 1oi4 h ILE 150 Ca 0.40 -0.58 -0.15 0.00 -1.37 0.00 0.00 64.86 63.15 1oi4 h ILE 150 Cb 0.59 0.38 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 1oi4 h ILE 150 CO -0.39 0.24 -0.43 0.44 -3.07 0.00 0.00 178.15 174.94 1oi4 h ASP 151 N 0.91 0.81 -0.63 2.19 3.32 -1.29 -0.56 116.42 121.17 1oi4 h ASP 151 Ca 0.22 -0.38 -0.05 0.00 0.02 0.00 0.00 57.03 56.85 1oi4 h ASP 151 Cb 0.09 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1oi4 h ASP 151 CO -0.03 1.13 0.21 0.58 -1.72 0.00 0.00 179.24 179.41 1oi4 h VAL 152 N 0.61 1.24 -0.42 -1.35 2.07 -0.86 -1.47 116.25 116.07 1oi4 h VAL 152 Ca 0.04 -0.81 -0.14 0.00 0.82 0.00 0.00 66.70 66.61 1oi4 h VAL 152 Cb 0.99 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1oi4 h VAL 152 CO 0.09 0.31 -0.26 0.11 0.02 0.00 0.00 177.57 177.84 1oi4 h LYS 153 N 0.90 0.92 0.00 1.57 1.57 -1.21 -2.39 116.57 117.93 1oi4 h LYS 153 Ca 0.21 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1oi4 h LYS 153 Cb 0.27 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1oi4 h LYS 153 CO -0.01 1.09 -0.04 -0.91 -0.57 0.00 0.00 179.45 179.01 1oi4 h ASN 154 N 0.75 0.00 -0.14 0.86 -0.26 -0.86 -0.44 115.58 115.49 1oi4 h ASN 154 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1oi4 h ASN 154 Cb 0.84 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.10 1oi4 h ASN 154 CO 0.07 0.04 0.00 0.00 -1.06 0.00 0.00 177.43 176.48 1oi4 n ALA 155 N -2.17 2.52 -0.80 -0.83 0.00 -0.58 -4.90 120.51 113.76 1oi4 n ALA 155 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1oi4 n ALA 155 Cb 0.18 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1oi4 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oi4 n GLY 156 N 0.92 0.78 3.85 0.00 0.00 -0.17 -3.39 105.19 107.17 1oi4 n GLY 156 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1oi4 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oi4 s ALA 157 N -2.96 3.11 -0.44 4.61 0.00 -1.03 0.16 121.76 125.21 1oi4 s ALA 157 Ca 0.00 0.12 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 1oi4 s ALA 157 Cb 0.00 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 20.09 1oi4 s ALA 157 CO 0.00 -0.21 0.53 -2.00 0.00 0.00 0.00 175.76 174.08 1oi4 s GLU 158 N -4.07 3.15 0.23 0.00 2.12 -0.29 -4.46 118.70 115.39 1oi4 s GLU 158 Ca 0.58 -0.69 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 1oi4 s GLU 158 Cb -0.10 -3.99 -0.09 0.00 0.26 0.00 0.00 34.13 30.21 1oi4 s GLU 158 CO 0.32 -0.97 0.96 0.12 -0.54 0.00 0.00 175.26 175.15 1oi4 s PHE 159 N 2.41 3.92 -0.03 5.30 5.36 -1.26 -2.62 117.98 131.06 1oi4 s PHE 159 Ca 0.15 1.88 0.02 0.00 -0.96 0.00 0.00 56.93 58.03 1oi4 s PHE 159 Cb -0.17 -3.03 0.01 0.00 -0.34 0.00 0.00 43.02 39.49 1oi4 s PHE 159 CO 0.15 0.31 -0.08 0.71 -1.46 0.00 0.00 175.22 174.85 1oi4 s TYR 160 N -1.08 0.86 -0.95 10.12 1.51 -0.89 -4.96 117.35 121.96 1oi4 s TYR 160 Ca 0.42 -0.22 -0.16 0.00 -1.01 0.00 0.00 57.07 56.11 1oi4 s TYR 160 Cb -0.27 -0.64 0.18 0.00 -0.11 0.00 0.00 41.96 41.13 1oi4 s TYR 160 CO 0.33 -0.11 1.05 0.34 -1.11 0.00 0.00 175.55 176.05 1oi4 s ASP 161 N 0.31 6.80 0.05 2.29 2.15 -1.26 -4.32 116.67 122.70 1oi4 s ASP 161 Ca -0.05 -2.53 -0.04 0.00 0.43 0.00 0.00 52.55 50.36 1oi4 s ASP 161 Cb -0.09 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.19 1oi4 s ASP 161 CO 0.00 -0.79 0.06 -1.10 -0.17 0.00 0.00 175.17 173.18 1oi4 s GLN 162 N 1.33 0.63 0.48 4.34 -0.21 -1.26 -5.04 119.66 119.93 1oi4 s GLN 162 Ca 0.29 -0.97 0.13 0.00 0.02 0.00 0.00 55.36 54.83 1oi4 s GLN 162 Cb -0.07 0.24 1.14 0.00 1.00 0.00 0.00 33.01 35.32 1oi4 s GLN 162 CO -0.08 -0.15 2.12 1.05 -2.12 0.00 0.00 175.29 176.11 1oi4 h GLU 163 N 3.33 0.17 -2.59 2.91 4.11 -1.93 -3.41 114.58 117.17 1oi4 h GLU 163 Ca -0.33 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 58.99 1oi4 h GLU 163 Cb 1.17 -0.04 -0.22 0.00 0.50 0.00 0.00 28.75 30.16 1oi4 h GLU 163 CO 0.57 0.11 -0.13 0.14 0.07 0.00 0.00 179.01 179.77 1oi4 s VAL 164 N -5.20 0.01 -0.06 -1.06 -7.23 -1.26 -4.04 120.40 101.56 1oi4 s VAL 164 Ca -0.06 -0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 1oi4 s VAL 164 Cb 0.17 -0.70 0.02 0.00 0.56 0.00 0.00 36.38 36.42 1oi4 s VAL 164 CO 0.69 -0.05 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.64 1oi4 s VAL 165 N -0.25 0.93 -0.23 1.32 1.01 0.18 -4.97 120.40 118.38 1oi4 s VAL 165 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1oi4 s VAL 165 Cb -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.50 1oi4 s VAL 165 CO 0.03 0.31 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 1oi4 s VAL 166 N 0.81 2.44 -0.26 2.92 1.01 -1.25 -1.00 120.40 125.07 1oi4 s VAL 166 Ca -0.12 -1.17 -0.10 0.00 0.00 0.00 0.00 61.98 60.59 1oi4 s VAL 166 Cb -0.15 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1oi4 s VAL 166 CO 0.02 0.24 0.16 -0.62 0.00 0.00 0.00 175.10 174.90 1oi4 s ASP 167 N 1.25 5.93 -1.46 3.32 2.15 0.45 -4.49 116.67 123.82 1oi4 s ASP 167 Ca -0.01 0.01 -0.14 0.00 0.43 0.00 0.00 52.55 52.85 1oi4 s ASP 167 Cb -0.16 -2.09 0.11 0.00 -0.30 0.00 0.00 42.92 40.48 1oi4 s ASP 167 CO -0.07 0.00 0.65 0.29 -0.17 0.00 0.00 175.17 175.87 1oi4 n LYS 168 N 4.72 -3.44 -3.65 4.34 5.02 -1.26 -0.75 118.16 123.14 1oi4 n LYS 168 Ca -0.15 0.42 -0.28 0.00 -2.02 0.00 0.00 58.31 56.29 1oi4 n LYS 168 Cb 0.52 -5.16 0.01 0.00 -0.02 0.00 0.00 35.03 30.38 1oi4 n LYS 168 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1oi4 n ASP 169 N -2.47 -4.24 0.12 4.39 8.00 -1.26 -4.76 116.55 116.33 1oi4 n ASP 169 Ca 0.03 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1oi4 n ASP 169 Cb 0.51 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 1oi4 n ASP 169 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1oi4 n GLN 170 N -4.17 0.00 -2.94 -1.24 7.27 0.07 -4.83 117.38 111.53 1oi4 n GLN 170 Ca 0.01 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.66 1oi4 n GLN 170 Cb 0.53 -0.06 -0.05 0.00 2.41 0.00 0.00 30.24 33.07 1oi4 n GLN 170 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1oi4 s LEU 171 N -6.78 4.09 -0.21 1.69 1.43 -0.89 -1.49 118.68 116.51 1oi4 s LEU 171 Ca 0.00 0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1oi4 s LEU 171 Cb 0.00 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 1oi4 s LEU 171 CO 0.00 -0.65 -0.05 -0.69 0.23 0.00 0.00 176.35 175.19 1oi4 s VAL 172 N 3.00 3.34 0.06 -1.59 1.01 -0.11 -0.41 120.40 125.70 1oi4 s VAL 172 Ca 0.32 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1oi4 s VAL 172 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1oi4 s VAL 172 CO 0.14 0.43 -0.14 0.42 0.00 0.00 0.00 175.10 175.95 1oi4 s THR 173 N 1.40 1.09 0.18 3.92 -4.23 -0.17 -0.50 115.64 117.33 1oi4 s THR 173 Ca 0.05 -1.21 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1oi4 s THR 173 Cb -0.14 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 1oi4 s THR 173 CO -0.03 -0.17 0.11 -0.44 -0.54 0.00 0.00 174.62 173.55 1oi4 s SER 174 N -1.57 0.19 -0.23 3.99 0.01 -1.07 -0.65 113.70 114.37 1oi4 s SER 174 Ca -0.01 -1.34 -0.18 0.00 1.31 0.00 0.00 55.95 55.73 1oi4 s SER 174 Cb -0.09 0.36 -0.17 0.00 0.21 0.00 0.00 66.02 66.32 1oi4 s SER 174 CO 0.02 -0.81 0.02 0.54 0.41 0.00 0.00 173.24 173.42 1oi4 n ARG 175 N -0.22 0.58 -4.18 12.44 1.74 -1.26 -1.69 116.66 124.08 1oi4 n ARG 175 Ca -0.00 0.45 -0.15 0.00 -0.77 0.00 0.00 57.85 57.38 1oi4 n ARG 175 Cb 0.65 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 30.36 1oi4 n ARG 175 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1oi4 s THR 176 N -2.42 0.00 0.57 0.55 -4.23 -1.26 -3.33 115.64 105.52 1oi4 s THR 176 Ca -0.32 -1.82 0.27 0.00 -1.18 0.00 0.00 61.69 58.64 1oi4 s THR 176 Cb 0.09 -2.51 0.35 0.00 1.34 0.00 0.00 72.50 71.77 1oi4 s THR 176 CO 0.57 0.00 2.11 -0.65 -0.54 0.00 0.00 174.62 176.11 1oi4 h PRO 177 N 2.26 0.00 0.00 3.99 0.11 -1.99 0.53 132.00 136.90 1oi4 h PRO 177 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1oi4 h PRO 177 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1oi4 h PRO 177 CO 0.41 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.95 1oi4 n ASP 178 N -3.97 0.39 -0.89 -2.05 8.00 -1.26 -1.69 116.55 115.08 1oi4 n ASP 178 Ca 0.02 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.24 1oi4 n ASP 178 Cb 0.30 -0.68 0.21 0.00 -0.02 0.00 0.00 41.12 40.94 1oi4 n ASP 178 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1oi4 n ASP 179 N -1.93 2.76 -0.25 -2.24 8.00 0.18 -4.56 116.55 118.50 1oi4 n ASP 179 Ca 0.02 -1.90 0.06 0.00 0.71 0.00 0.00 54.79 53.68 1oi4 n ASP 179 Cb 0.19 -0.06 0.19 0.00 -0.02 0.00 0.00 41.12 41.42 1oi4 n ASP 179 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1oi4 h LEU 180 N 4.11 0.13 -0.54 0.64 3.38 -1.40 0.12 115.31 121.75 1oi4 h LEU 180 Ca 0.00 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1oi4 h LEU 180 Cb 0.88 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 1oi4 h LEU 180 CO 0.00 0.02 0.15 -0.65 0.09 0.00 0.00 178.44 178.05 1oi4 h PRO 181 N 0.34 0.29 -0.21 1.13 0.11 -1.82 0.23 132.00 132.06 1oi4 h PRO 181 Ca 0.42 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.32 1oi4 h PRO 181 Cb 0.68 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1oi4 h PRO 181 CO -0.46 0.19 -0.60 0.00 -0.21 0.00 0.00 178.00 176.92 1oi4 h ALA 182 N 1.41 0.35 0.16 -0.75 0.00 -1.66 -2.32 119.26 116.45 1oi4 h ALA 182 Ca 0.28 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1oi4 h ALA 182 Cb 0.36 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1oi4 h ALA 182 CO -0.33 0.61 -0.28 0.35 0.00 0.00 0.00 179.25 179.60 1oi4 h PHE 183 N 0.51 -0.75 -0.99 0.00 3.57 -0.16 -2.30 116.94 116.83 1oi4 h PHE 183 Ca -0.02 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1oi4 h PHE 183 Cb 1.22 0.31 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 1oi4 h PHE 183 CO 0.09 -0.39 0.65 -0.91 -2.23 0.00 0.00 178.31 175.52 1oi4 h ASN 184 N -0.52 1.10 0.07 0.41 2.35 -0.61 -1.90 115.58 116.49 1oi4 h ASN 184 Ca 0.02 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1oi4 h ASN 184 Cb 0.52 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1oi4 h ASN 184 CO -0.14 0.77 -0.29 -0.09 -1.65 0.00 0.00 177.43 176.04 1oi4 h ARG 185 N 1.28 -0.46 -0.29 0.81 2.43 -0.89 0.17 114.38 117.44 1oi4 h ARG 185 Ca 0.38 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.47 1oi4 h ARG 185 Cb -0.05 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1oi4 h ARG 185 CO -0.11 -0.30 -0.27 0.93 -1.51 0.00 0.00 179.97 178.71 1oi4 h GLU 186 N -0.47 0.58 -0.04 0.20 4.39 -1.27 -1.05 114.58 116.91 1oi4 h GLU 186 Ca 0.04 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 1oi4 h GLU 186 Cb 0.52 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1oi4 h GLU 186 CO -0.20 0.80 0.02 0.00 -1.16 0.00 0.00 179.01 178.47 1oi4 h ALA 187 N 1.20 0.06 -0.65 3.43 0.00 -1.09 -1.60 119.26 120.60 1oi4 h ALA 187 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oi4 h ALA 187 Cb 0.73 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1oi4 h ALA 187 CO 0.06 -0.38 0.42 -0.07 0.00 0.00 0.00 179.25 179.27 1oi4 h LEU 188 N -0.06 0.76 -0.43 0.00 3.38 -0.87 -2.13 115.31 115.96 1oi4 h LEU 188 Ca 0.01 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1oi4 h LEU 188 Cb 0.12 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1oi4 h LEU 188 CO -0.00 0.57 0.08 -0.09 0.09 0.00 0.00 178.44 179.09 1oi4 h ARG 189 N 0.88 0.20 0.00 1.13 2.43 -0.92 -0.46 114.38 117.64 1oi4 h ARG 189 Ca 0.24 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1oi4 h ARG 189 Cb -0.07 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1oi4 h ARG 189 CO -0.05 0.13 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.44 1oi4 h LEU 190 N 0.20 0.00 0.00 3.80 3.38 -0.91 -2.62 115.31 119.17 1oi4 h LEU 190 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1oi4 h LEU 190 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1oi4 h LEU 190 CO -0.28 0.03 -0.47 0.18 0.09 0.00 0.00 178.44 177.99 1oi4 n LEU 191 N -3.15 0.47 0.00 1.67 4.77 -0.28 -4.92 117.00 115.56 1oi4 n LEU 191 Ca -0.00 0.06 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 1oi4 n LEU 191 Cb 0.28 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1oi4 n LEU 191 CO 0.27 0.10 0.49 0.61 -1.33 0.00 0.00 177.39 177.53 1oi4 n GLY 192 N 1.49 0.99 0.00 -0.72 0.00 -0.62 -5.08 105.19 101.25 1oi4 n GLY 192 Ca 0.05 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1oi4 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32